3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide

C19H25F3N4O — CID 174637365

IUPAC3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
SMILESCc1cn([C@@]2(CCC(N)=O)C(C3CCCC3)=CC=CN2C)nc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O/c1-13-12-26(24-17(13)19(20,21)22)18(10-9-16(23)27)15(8-5-11-25(18)2)14-6-3-4-7-14/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H2,23,27)/t18-/m0/s1
InChIKeyVJUIYRIMTQHQLR-SFHVURJKSA-N
MW382.43 g/mol
LogP3.70
Rot. Bonds5

About 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide

3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide (PubChem CID 174637365) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
PubChem CID174637365
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
SMILESCc1cn([C@@]2(CCC(N)=O)C(C3CCCC3)=CC=CN2C)nc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O/c1-13-12-26(24-17(13)19(20,21)22)18(10-9-16(23)27)15(8-5-11-25(18)2)14-6-3-4-7-14/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H2,23,27)/t18-/m0/s1
InChIKeyVJUIYRIMTQHQLR-SFHVURJKSA-N
XLogP3.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 91437595
3-[3-Cyclopentyl-1-methyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
CID 174624069
3-[3-Cyclopentyl-1-methyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
CID 174637354

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide?
The IUPAC name of 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide (CID 174637365) is 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide is Cc1cn([C@@]2(CCC(N)=O)C(C3CCCC3)=CC=CN2C)nc1C(F)(F)F.
What is the InChIKey of 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide?
The InChIKey is VJUIYRIMTQHQLR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-13-12-26(24-17(13)19(20,21)22)18(10-9-16(23)27)15(8-5-11-25(18)2)14-6-3-4-7-14/h5,8,11-12,14H,3-4,6-7,9-10H2,1-2H3,(H2,23,27)/t18-/m0/s1.
What are the key properties of 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide?
3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide has a molecular weight of 382.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 174637365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).